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Calcium in PDB 3ala: Crystal Structure of Vascular Adhesion Protein-1 in Space Group C2

Enzymatic activity of Crystal Structure of Vascular Adhesion Protein-1 in Space Group C2

All present enzymatic activity of Crystal Structure of Vascular Adhesion Protein-1 in Space Group C2:
1.4.3.21;

Protein crystallography data

The structure of Crystal Structure of Vascular Adhesion Protein-1 in Space Group C2, PDB code: 3ala was solved by K.E.Ernberg, A.P.Mcgrath, J.M.Guss, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 110.40 / 2.90
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 394.468, 115.826, 179.286, 90.00, 112.34, 90.00
R / Rfree (%) 25 / 28.6

Other elements in 3ala:

The structure of Crystal Structure of Vascular Adhesion Protein-1 in Space Group C2 also contains other interesting chemical elements:

Copper (Cu) 7 atoms

Calcium Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 14;

Binding sites:

The binding sites of Calcium atom in the Crystal Structure of Vascular Adhesion Protein-1 in Space Group C2 (pdb code 3ala). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 14 binding sites of Calcium where determined in the Crystal Structure of Vascular Adhesion Protein-1 in Space Group C2, PDB code: 3ala:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Calcium binding site 1 out of 14 in 3ala

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Calcium binding site 1 out of 14 in the Crystal Structure of Vascular Adhesion Protein-1 in Space Group C2


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Vascular Adhesion Protein-1 in Space Group C2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca1763

b:32.0
occ:1.00
OD1 A:ASP529 2.2 37.3 1.0
OD1 A:ASP531 2.2 36.2 1.0
OD1 A:ASP673 2.4 38.2 1.0
O A:HOH784 2.4 43.1 1.0
O A:LEU674 2.4 35.7 1.0
O A:LEU530 2.5 36.1 1.0
CG A:ASP529 3.4 39.3 1.0
CG A:ASP673 3.4 38.1 1.0
CG A:ASP531 3.5 39.2 1.0
N A:LEU674 3.5 38.5 1.0
C A:LEU530 3.5 37.2 1.0
C A:LEU674 3.5 36.9 1.0
NZ A:LYS106 3.6 37.6 1.0
OD2 A:ASP529 4.0 37.8 1.0
C A:ASP673 4.0 38.6 1.0
CA A:ASP531 4.1 39.9 1.0
OD2 A:ASP673 4.1 39.1 1.0
CA A:LEU674 4.1 38.0 1.0
N A:ASP531 4.1 38.3 1.0
C A:ASP529 4.2 39.1 1.0
CA A:ASP673 4.2 38.8 1.0
N A:LEU530 4.3 39.8 1.0
CB A:ASP531 4.4 41.1 1.0
OD2 A:ASP531 4.4 39.6 1.0
CB A:ASP673 4.4 39.2 1.0
O A:ASP529 4.4 37.8 1.0
CA A:ASP529 4.5 38.1 1.0
CA A:LEU530 4.5 38.7 1.0
CB A:ASP529 4.5 39.3 1.0
O A:LEU535 4.5 39.5 1.0
N A:VAL675 4.6 37.0 1.0
O A:ASP673 4.9 37.6 1.0
OD1 A:ASN537 4.9 36.2 1.0
CB A:LEU674 4.9 39.1 1.0

Calcium binding site 2 out of 14 in 3ala

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Calcium binding site 2 out of 14 in the Crystal Structure of Vascular Adhesion Protein-1 in Space Group C2


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of Vascular Adhesion Protein-1 in Space Group C2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca1764

b:50.5
occ:1.00
O A:PHE663 2.2 38.6 1.0
OD1 A:ASN665 2.3 40.2 1.0
OE2 A:GLU572 2.5 43.5 1.0
OE1 A:GLU667 2.9 40.8 1.0
OE1 A:GLU572 3.0 41.1 1.0
CD A:GLU572 3.1 41.9 1.0
C A:PHE663 3.4 39.5 1.0
CG A:ASN665 3.6 40.8 1.0
CD A:GLU667 3.6 43.2 1.0
NZ A:LYS638 3.6 38.6 1.0
OE1 A:GLU641 3.7 41.5 1.0
OE2 A:GLU641 3.8 40.1 1.0
OE2 A:GLU667 4.0 41.8 1.0
CA A:PHE663 4.1 38.9 1.0
CB A:THR635 4.2 37.7 1.0
CD A:GLU641 4.2 42.2 1.0
N A:GLN636 4.4 37.7 1.0
N A:ASN665 4.4 40.1 1.0
ND2 A:ASN665 4.5 38.3 1.0
N A:ILE664 4.5 39.6 1.0
CE A:LYS638 4.5 38.7 1.0
CB A:ASN665 4.5 39.9 1.0
CG A:GLU667 4.5 42.0 1.0
O A:GLN636 4.5 40.2 1.0
CB A:PHE663 4.6 39.1 1.0
CG2 A:THR635 4.6 35.8 1.0
CG A:GLU572 4.6 39.4 1.0
CD A:LYS638 4.7 39.8 1.0
CA A:ILE664 4.7 38.7 1.0
CB A:GLN636 4.8 38.4 1.0
CA A:THR635 4.9 38.3 1.0
OG1 A:THR635 5.0 40.6 1.0

Calcium binding site 3 out of 14 in 3ala

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Calcium binding site 3 out of 14 in the Crystal Structure of Vascular Adhesion Protein-1 in Space Group C2


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure of Vascular Adhesion Protein-1 in Space Group C2 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca1763

b:35.9
occ:1.00
O B:LEU530 2.2 35.8 1.0
OD1 B:ASP531 2.3 36.8 1.0
OD1 B:ASP529 2.4 36.8 1.0
O B:LEU674 2.4 36.0 1.0
OD1 B:ASP673 2.5 38.4 1.0
C B:LEU530 3.3 37.3 1.0
N B:LEU674 3.4 38.2 1.0
CG B:ASP531 3.5 39.3 1.0
C B:LEU674 3.5 36.9 1.0
CG B:ASP673 3.5 38.2 1.0
CG B:ASP529 3.6 39.3 1.0
NZ B:LYS106 3.9 37.6 1.0
CA B:ASP531 3.9 40.0 1.0
N B:ASP531 3.9 38.6 1.0
CA B:LEU674 4.0 38.1 1.0
C B:ASP673 4.1 38.5 1.0
CA B:ASP673 4.2 38.5 1.0
N B:LEU530 4.2 39.8 1.0
OD2 B:ASP673 4.2 39.1 1.0
OD2 B:ASP529 4.3 38.3 1.0
CB B:ASP531 4.3 41.0 1.0
C B:ASP529 4.3 39.3 1.0
O B:LEU535 4.3 39.5 1.0
CA B:LEU530 4.4 38.8 1.0
CB B:ASP673 4.5 39.2 1.0
OD2 B:ASP531 4.5 39.8 1.0
OD1 B:ASN537 4.5 36.0 1.0
O B:ASP529 4.6 38.0 1.0
CA B:ASP529 4.6 38.3 1.0
N B:VAL675 4.7 37.1 1.0
CB B:ASP529 4.7 39.0 1.0
CB B:LEU674 4.8 39.2 1.0
O B:ASP673 5.0 37.9 1.0

Calcium binding site 4 out of 14 in 3ala

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Calcium binding site 4 out of 14 in the Crystal Structure of Vascular Adhesion Protein-1 in Space Group C2


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Crystal Structure of Vascular Adhesion Protein-1 in Space Group C2 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca1764

b:88.5
occ:1.00
O B:PHE663 2.3 38.9 1.0
OD1 B:ASN665 2.4 40.2 1.0
OE2 B:GLU572 2.6 43.6 1.0
OE1 B:GLU667 2.8 40.2 1.0
OE1 B:GLU572 3.2 41.4 1.0
CD B:GLU572 3.3 42.0 1.0
C B:PHE663 3.5 39.5 1.0
NZ B:LYS638 3.5 38.9 1.0
CD B:GLU667 3.5 43.2 1.0
CG B:ASN665 3.6 40.9 1.0
OE1 B:GLU641 3.7 41.6 1.0
OE2 B:GLU641 3.8 39.9 1.0
OE2 B:GLU667 4.0 42.0 1.0
CA B:PHE663 4.2 38.8 1.0
CD B:GLU641 4.2 42.1 1.0
CB B:THR635 4.2 37.8 1.0
CE B:LYS638 4.3 38.8 1.0
O B:GLN636 4.4 39.5 1.0
N B:GLN636 4.4 37.9 1.0
CD B:LYS638 4.4 40.0 1.0
ND2 B:ASN665 4.5 38.3 1.0
CG B:GLU667 4.6 42.2 1.0
N B:ASN665 4.6 39.8 1.0
CB B:ASN665 4.6 40.2 1.0
N B:ILE664 4.6 39.7 1.0
CB B:PHE663 4.6 39.0 1.0
CG2 B:THR635 4.7 35.9 1.0
CB B:GLN636 4.7 38.4 1.0
CG B:GLU572 4.7 39.4 1.0
CA B:ILE664 4.9 38.7 1.0

Calcium binding site 5 out of 14 in 3ala

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Calcium binding site 5 out of 14 in the Crystal Structure of Vascular Adhesion Protein-1 in Space Group C2


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Crystal Structure of Vascular Adhesion Protein-1 in Space Group C2 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca1763

b:34.9
occ:1.00
O C:LEU674 2.3 36.0 1.0
OD1 C:ASP673 2.3 38.5 1.0
OD1 C:ASP529 2.3 37.1 1.0
OD1 C:ASP531 2.4 36.7 1.0
O C:LEU530 2.4 35.9 1.0
N C:LEU674 3.3 38.3 1.0
C C:LEU674 3.4 37.0 1.0
CG C:ASP673 3.4 38.2 1.0
C C:LEU530 3.5 37.2 1.0
CG C:ASP529 3.5 39.2 1.0
CG C:ASP531 3.6 39.2 1.0
NZ C:LYS106 3.7 37.5 1.0
CA C:LEU674 3.9 38.1 1.0
C C:ASP673 4.0 38.6 1.0
CA C:ASP531 4.1 40.1 1.0
N C:ASP531 4.1 38.6 1.0
OD2 C:ASP673 4.1 39.0 1.0
CA C:ASP673 4.2 38.7 1.0
OD2 C:ASP529 4.2 37.6 1.0
C C:ASP529 4.3 39.2 1.0
N C:LEU530 4.3 39.8 1.0
CB C:ASP673 4.4 39.4 1.0
CB C:ASP531 4.5 41.1 1.0
O C:LEU535 4.5 39.9 1.0
N C:VAL675 4.5 37.0 1.0
CA C:LEU530 4.5 38.6 1.0
OD2 C:ASP531 4.5 39.5 1.0
O C:ASP529 4.6 38.2 1.0
CA C:ASP529 4.6 38.2 1.0
CB C:ASP529 4.6 39.3 1.0
OD1 C:ASN537 4.7 36.1 1.0
CB C:LEU674 4.7 39.2 1.0
O C:ASP673 4.8 37.8 1.0
CA C:VAL675 4.9 37.5 1.0

Calcium binding site 6 out of 14 in 3ala

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Calcium binding site 6 out of 14 in the Crystal Structure of Vascular Adhesion Protein-1 in Space Group C2


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Crystal Structure of Vascular Adhesion Protein-1 in Space Group C2 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca1764

b:53.3
occ:1.00
O C:PHE663 2.4 38.9 1.0
OD1 C:ASN665 2.5 40.1 1.0
OE2 C:GLU572 2.6 43.4 1.0
OE1 C:GLU667 2.9 40.5 1.0
OE1 C:GLU572 3.2 41.2 1.0
CD C:GLU572 3.2 41.9 1.0
C C:PHE663 3.5 39.6 1.0
NZ C:LYS638 3.6 38.9 1.0
CD C:GLU667 3.6 43.0 1.0
OE1 C:GLU641 3.7 41.6 1.0
CG C:ASN665 3.7 40.9 1.0
OE2 C:GLU641 3.9 40.1 1.0
OE2 C:GLU667 4.1 42.0 1.0
CB C:THR635 4.1 38.1 1.0
CD C:GLU641 4.2 42.1 1.0
CA C:PHE663 4.2 38.9 1.0
N C:GLN636 4.3 37.9 1.0
CE C:LYS638 4.3 38.7 1.0
O C:GLN636 4.3 39.9 1.0
CD C:LYS638 4.5 39.7 1.0
ND2 C:ASN665 4.5 38.7 1.0
CB C:GLN636 4.6 38.4 1.0
CB C:PHE663 4.6 39.1 1.0
CG C:GLU667 4.6 41.9 1.0
CG2 C:THR635 4.6 36.0 1.0
N C:ILE664 4.6 39.6 1.0
CG C:GLU572 4.7 39.8 1.0
N C:ASN665 4.7 40.2 1.0
CB C:ASN665 4.7 40.1 1.0
OG1 C:THR635 4.9 40.5 1.0
CA C:THR635 4.9 38.5 1.0
CA C:GLN636 4.9 38.6 1.0
CA C:ILE664 4.9 38.6 1.0

Calcium binding site 7 out of 14 in 3ala

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Calcium binding site 7 out of 14 in the Crystal Structure of Vascular Adhesion Protein-1 in Space Group C2


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 7 of Crystal Structure of Vascular Adhesion Protein-1 in Space Group C2 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Ca1763

b:39.9
occ:1.00
O D:LEU674 2.2 36.3 1.0
OD1 D:ASP529 2.3 37.4 1.0
O D:LEU530 2.3 36.1 1.0
OD1 D:ASP531 2.4 36.5 1.0
OD1 D:ASP673 2.4 38.6 1.0
C D:LEU674 3.3 37.1 1.0
N D:LEU674 3.3 38.3 1.0
C D:LEU530 3.4 37.6 1.0
CG D:ASP529 3.5 39.7 1.0
CG D:ASP673 3.6 38.4 1.0
CG D:ASP531 3.6 39.3 1.0
NZ D:LYS106 3.9 37.5 1.0
CA D:LEU674 3.9 38.2 1.0
C D:ASP673 4.0 38.6 1.0
CA D:ASP531 4.1 40.0 1.0
N D:ASP531 4.1 38.5 1.0
N D:LEU530 4.2 39.8 1.0
C D:ASP529 4.2 39.2 1.0
OD2 D:ASP529 4.2 38.2 1.0
CA D:ASP673 4.3 38.9 1.0
OD2 D:ASP673 4.3 39.1 1.0
CA D:LEU530 4.4 38.9 1.0
CB D:ASP531 4.4 41.1 1.0
N D:VAL675 4.5 37.2 1.0
CA D:ASP529 4.5 38.3 1.0
OD2 D:ASP531 4.5 40.1 1.0
O D:ASP529 4.5 38.1 1.0
CB D:ASP673 4.5 39.2 1.0
O D:LEU535 4.5 39.9 1.0
CB D:ASP529 4.6 39.5 1.0
CB D:LEU674 4.7 39.1 1.0
OD1 D:ASN537 4.7 36.2 1.0
CA D:VAL675 4.8 37.8 1.0
O D:ASP673 4.9 38.1 1.0

Calcium binding site 8 out of 14 in 3ala

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Calcium binding site 8 out of 14 in the Crystal Structure of Vascular Adhesion Protein-1 in Space Group C2


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 8 of Crystal Structure of Vascular Adhesion Protein-1 in Space Group C2 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Ca1764

b:65.7
occ:1.00
OD1 D:ASN665 2.4 40.1 1.0
O D:PHE663 2.4 39.0 1.0
OE2 D:GLU572 2.9 43.5 1.0
OE1 D:GLU667 3.1 40.6 1.0
NZ D:LYS638 3.4 38.7 1.0
OE2 D:GLU641 3.4 40.4 1.0
OE1 D:GLU572 3.5 41.2 1.0
OE1 D:GLU641 3.5 41.7 1.0
C D:PHE663 3.5 39.7 1.0
CD D:GLU572 3.6 42.1 1.0
CG D:ASN665 3.6 40.9 1.0
CD D:GLU667 3.7 43.3 1.0
CD D:GLU641 3.9 42.3 1.0
OE2 D:GLU667 3.9 42.3 1.0
CA D:PHE663 4.0 39.0 1.0
CE D:LYS638 4.2 38.7 1.0
CD D:LYS638 4.3 40.2 1.0
ND2 D:ASN665 4.4 38.5 1.0
CB D:THR635 4.4 38.0 1.0
O D:GLN636 4.5 39.7 1.0
CB D:PHE663 4.5 39.2 1.0
CB D:ASN665 4.6 40.1 1.0
N D:ILE664 4.6 39.6 1.0
N D:GLN636 4.7 38.3 1.0
N D:ASN665 4.7 40.1 1.0
CG D:GLU667 4.7 42.2 1.0
CB D:GLN636 4.9 38.5 1.0
CG2 D:THR635 4.9 36.2 1.0
CA D:ILE664 5.0 38.9 1.0

Calcium binding site 9 out of 14 in 3ala

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Calcium binding site 9 out of 14 in the Crystal Structure of Vascular Adhesion Protein-1 in Space Group C2


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 9 of Crystal Structure of Vascular Adhesion Protein-1 in Space Group C2 within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Ca1763

b:43.3
occ:1.00
O E:LEU530 2.3 36.2 1.0
O E:LEU674 2.4 36.6 1.0
OD1 E:ASP531 2.4 36.6 1.0
OD1 E:ASP673 2.4 38.8 1.0
OD1 E:ASP529 2.7 37.1 1.0
N E:LEU674 3.1 38.5 1.0
C E:LEU674 3.4 37.1 1.0
C E:LEU530 3.4 37.5 1.0
CG E:ASP673 3.5 38.4 1.0
CG E:ASP531 3.6 39.4 1.0
C E:ASP673 3.8 38.7 1.0
CA E:LEU674 3.8 38.3 1.0
CA E:ASP531 3.9 40.0 1.0
CA E:ASP673 4.0 38.7 1.0
CG E:ASP529 4.0 39.5 1.0
O E:LEU535 4.1 39.8 1.0
N E:ASP531 4.1 38.4 1.0
NZ E:LYS106 4.1 37.4 1.0
OD2 E:ASP673 4.2 39.1 1.0
OD1 E:ASN537 4.3 36.3 1.0
CB E:ASP673 4.3 39.4 1.0
CB E:ASP531 4.4 41.3 1.0
N E:LEU530 4.5 39.6 1.0
CB E:LEU674 4.5 39.1 1.0
OD2 E:ASP531 4.6 40.0 1.0
CA E:LEU530 4.6 39.0 1.0
C E:ASP529 4.6 39.2 1.0
N E:VAL675 4.6 37.1 1.0
OD2 E:ASP529 4.6 38.0 1.0
O E:ASP673 4.8 37.9 1.0
CA E:ASP529 5.0 38.5 1.0
O E:ASP529 5.0 38.0 1.0

Calcium binding site 10 out of 14 in 3ala

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Calcium binding site 10 out of 14 in the Crystal Structure of Vascular Adhesion Protein-1 in Space Group C2


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 10 of Crystal Structure of Vascular Adhesion Protein-1 in Space Group C2 within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Ca1764

b:46.4
occ:1.00
O E:HOH772 2.2 43.1 1.0
OD1 E:ASN665 2.3 40.2 1.0
O E:PHE663 2.5 38.7 1.0
OE2 E:GLU572 2.6 43.4 1.0
OE1 E:GLU667 2.8 40.7 1.0
OE1 E:GLU572 3.3 41.1 1.0
CD E:GLU572 3.3 42.1 1.0
NZ E:LYS638 3.4 38.6 1.0
CD E:GLU667 3.5 43.3 1.0
CG E:ASN665 3.6 40.7 1.0
OE1 E:GLU641 3.7 41.6 1.0
C E:PHE663 3.7 39.6 1.0
OE2 E:GLU641 3.7 40.2 1.0
OE2 E:GLU667 3.9 42.0 1.0
CD E:GLU641 4.1 42.3 1.0
CE E:LYS638 4.1 38.9 1.0
CD E:LYS638 4.3 40.1 1.0
CA E:PHE663 4.3 39.2 1.0
ND2 E:ASN665 4.3 38.3 1.0
CB E:THR635 4.4 37.9 1.0
CG E:GLU667 4.5 42.5 1.0
N E:GLN636 4.5 38.1 1.0
O E:GLN636 4.5 39.6 1.0
CB E:ASN665 4.6 40.1 1.0
CB E:GLN636 4.6 38.7 1.0
N E:ASN665 4.7 40.1 1.0
CB E:PHE663 4.8 39.3 1.0
N E:ILE664 4.8 39.8 1.0
CG E:GLU572 4.8 39.7 1.0
CG2 E:THR635 4.9 36.0 1.0

Reference:

K.Ernberg, A.P.Mcgrath, T.S.Peat, T.E.Adams, X.Xiao, T.Pham, J.Newman, I.A.Mcdonald, C.A.Collyer, J.M.Guss. A New Crystal Form of Human Vascular Adhesion Protein 1 Acta Crystallogr.,Sect.F V. 66 1572 2010.
ISSN: ESSN 1744-3091
PubMed: 21139198
DOI: 10.1107/S1744309110041515
Page generated: Sat Jul 13 07:50:09 2024

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